5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione

C19H19FN4O3S — CID 9325000

IUPAC5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione
SMILESCc1csc(CC(=O)N2CCN(CN3C(=O)C(=O)c4cc(F)ccc43)CC2)n1
InChIInChI=1S/C19H19FN4O3S/c1-12-10-28-16(21-12)9-17(25)23-6-4-22(5-7-23)11-24-15-3-2-13(20)8-14(15)18(26)19(24)27/h2-3,8,10H,4-7,9,11H2,1H3
InChIKeyZUPSKAPZBGNRHC-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.46
Rot. Bonds4

About 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione

5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione (PubChem CID 9325000) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione
PubChem CID9325000
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione
SMILESCc1csc(CC(=O)N2CCN(CN3C(=O)C(=O)c4cc(F)ccc43)CC2)n1
InChIInChI=1S/C19H19FN4O3S/c1-12-10-28-16(21-12)9-17(25)23-6-4-22(5-7-23)11-24-15-3-2-13(20)8-14(15)18(26)19(24)27/h2-3,8,10H,4-7,9,11H2,1H3
InChIKeyZUPSKAPZBGNRHC-UHFFFAOYSA-N
XLogP1.46
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione?
The IUPAC name of 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione (CID 9325000) is 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione is Cc1csc(CC(=O)N2CCN(CN3C(=O)C(=O)c4cc(F)ccc43)CC2)n1.
What is the InChIKey of 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione?
The InChIKey is ZUPSKAPZBGNRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-12-10-28-16(21-12)9-17(25)23-6-4-22(5-7-23)11-24-15-3-2-13(20)8-14(15)18(26)19(24)27/h2-3,8,10H,4-7,9,11H2,1H3.
What are the key properties of 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione?
5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione has a molecular weight of 402.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 9325000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).